scholarly journals A cocrystal of two MoVIcomplexes bearing different diastereomers of the 2,4-di-tert-butyl-6-{[(1-oxido-1-phenylpropan-2-yl)(methyl)amino]methyl}phenolate ligand derived from (+)-ephedrine

2013 ◽  
Vol 69 (5) ◽  
pp. 509-512 ◽  
Author(s):  
Reijo Sillanpää ◽  
Mikko M. Hänninen
Keyword(s):  
Hydrogen Bonds ◽  
Octahedral Coordination ◽  
Molybdenum Complex ◽  
Enantiomerically Pure ◽  
One Dimensional ◽  
Π Interactions ◽  
Tert Butyl ◽  
Distorted Octahedral Coordination ◽  
Distorted Octahedral ◽  
Phenyl Rings

The title cocrystal contains two chiral conformational diastereomers,viz.(1S,2R,RN)- and (1S,2R,SN)-, of [2,4-di-tert-butyl-6-{[(1-oxido-1-phenylpropan-2-yl)(methyl)amino]methyl}phenolato](methanol)-cis-dioxidomolybdenum(VI), [Mo(C25H35NO2)O2(CH3OH)], representing the first example of a structurally characterized molybdenum complex with enantiomerically pure ephedrine derivative ligands. The MoVIcations exhibit differently distorted octahedral coordination environments, with two oxide ligands positionedcisto each other. The remainder of the coordination comprises phenoxide, alkoxide and methanol O atoms, with an amine N atom completing the octahedron. The distinct complexes are linked by strong intermolecular O—H...O hydrogen bonds, resulting in one-dimensional molecular chains. Furthermore, the phenyl rings are involved in weak T-shaped/edge-to-face π–π interactions with each other.

3-(Pyridin-4-yl)acetylacetone: CdII and HgII compete for nitrogen coordination

2017 ◽  
Vol 73 (9) ◽  
pp. 724-730 ◽  
Author(s):  
Khai-Nghi Truong ◽  
Carina Merkens ◽  
Ulli Englert
Keyword(s):  
Solid State ◽  
Hydrogen Bonds ◽  
Carbonyl Group ◽  
Coordination Sphere ◽  
Aqua Ligand ◽  
Polymeric Chain ◽  
One Dimensional ◽  
Distorted Octahedral Coordination ◽  
Distorted Octahedral ◽  
The One

3-(Pyridin-4-yl)acetylacetone (HacacPy) acts as a pyridine-type ligand towards CdII and HgII halides. With CdBr2, the one-dimensional polymer [Cd(μ-Br)2(HacacPy)Cd(μ-Br)2(HacacPy)2]∞ is obtained in which five- and six-coordinated CdII cations alternate in the chain direction. Reaction of HacacPy with HgBr2 results in [Hg(μ-Br)Br(HacacPy)]∞, a polymer in which each HgII centre is tetracoordinated. In both compounds, each metal(II) cation is N-coordinated by at least one HacacPy ligand. Equimolar reaction between these CdII and HgII derivatives, either conducted in ethanol as solvent or via grinding in the solid state, leads to ligand redistribution and the formation of the well-ordered bimetallic polymer catena-poly[[bromidomercury(II)]-μ-bromido-[aquabis[4-hydroxy-3-(pyridin-4-yl)pent-3-en-2-one]cadmium(II)]-di-μ-bromido], [CdHgBr4(C10H11NO2)2(H2O)] n or [{HgBr}(μ-Br){(HacacPy)2Cd(H2O)}(μ-Br)2]∞. HgII and CdII cations alternate in the [100] direction. The HacacPy ligands do not bind to the HgII cations, which are tetracoordinated by three bridging and one terminal bromide ligand. The CdII centres adopt an only slightly distorted octahedral coordination. Three bromide ligands link them in a (2 + 1) pattern to neighbouring HgII atoms; two HacacPy ligands in a cis configuration, acting as N-atom donors, and a terminal aqua ligand complete the coordination sphere. Classical O—H...Br hydrogen bonds stabilize the polymeric chain. O—H...O hydrogen bonds between aqua H atoms and the uncoordinated carbonyl group of an HacacPy ligand in a neighbouring strand in the c direction link the chains into layers in the (010) plane.

scholarly journals trans-Bis(aniline-κN)dichlorobis(ethanol-κO)cobalt(II)

2007 ◽  
Vol 63 (3) ◽  
pp. m856-m856 ◽  
Author(s):  
William Clegg ◽  
Nicola C. Martin
Keyword(s):  
Hydrogen Bonds ◽  
Organic Acid ◽  
Title Compound ◽  
Stacking Interactions ◽  
Coordination Geometry ◽  
Distorted Octahedral Coordination ◽  
Distorted Octahedral Coordination Geometry ◽  
Distorted Octahedral ◽  
Phenyl Rings ◽  
Network Complex

The title compound, [CoCl2(C6H7N)2(C2H6O)2], was obtained unintentionally as the product of an attempted synthesis of a polycarboxylate-bridged network complex of cobalt(II) using aniline as a base to deprotonate the organic acid. The molecule is centrosymmetric, so pairs of equivalent ligands lie trans to each other in a slightly distorted octahedral coordination geometry. Molecules are linked by O—H...Cl and N—H...Cl hydrogen bonds involving all the potential donors, generating sheets parallel to (001). The phenyl rings protrude on both sides of these sheets and have normal hydrophobic contacts with each other, involving no intercalation or stacking interactions.

scholarly journals trans-Diaquabis(1,1,1,5,5,5-hexafluoropentane-2,4-dionato-κ2O,O′)cobalt(II) dihydrate

IUCrData ◽  
2017 ◽  
Vol 2 (1) ◽  
Author(s):  
Takumi Tominaga ◽  
Tomoyuki Mochida
Keyword(s):  
Hydrogen Bonds ◽  
Coordination Sphere ◽  
Title Compound ◽  
Octahedral Coordination ◽  
Distorted Octahedral Coordination ◽  
Distorted Octahedral

The CoIIatom in the mononuclear title compound, [Co(C5HF6O2)2(H2O)2]·2H2O, is situated on an inversion centre and exhibits a slightly distorted octahedral coordination sphere. In the crystal, molecules are arranged in layers parallel to (100), held together by O—H...O and O—H...F hydrogen bonds.

scholarly journals catena-Poly[[(2,2′-bipyridine-κ2 N,N′)manganese(II)]-di-μ-bromido]

IUCrData ◽  
2021 ◽  
Vol 6 (1) ◽  
Author(s):  
Kwang Ha
Keyword(s):  
Title Complex ◽  
Coordination Geometry ◽  
One Dimensional ◽  
Axis Direction ◽  
Π Interactions ◽  
Twofold Axis ◽  
Distorted Octahedral Coordination ◽  
Distorted Octahedral Coordination Geometry ◽  
Distorted Octahedral ◽  
Axis Of Symmetry

In the polymeric title complex, [MnBr2(C10H8N2)] n , the MnII ion, situated on a twofold axis of symmetry, is six-coordinated in a distorted octahedral coordination geometry defined by two N atoms from the chelating 2,2′-bipyridine ligand and four bridging Br− anions. The crystal reveals a one-dimensional Br-bridged chain along the c-axis direction with a zigzag topology. In the crystals, contacts between chains include π–π interactions between pyridyl rings [inter-centroid separation = 4.082 (1) Å]

scholarly journals Bis(acetato-κ2 O,O′)(4,4′-dimethyl-2,2′-bipyridine-κ2 N,N′)copper(II) monohydrate

2012 ◽  
Vol 68 (6) ◽  
pp. m775-m775
Author(s):  
Aphiwat Kaewthong ◽  
Mongkol Sukwattanasinitt ◽  
Nongnuj Muangsin
Keyword(s):  
Hydrogen Bonds ◽  
Water Molecule ◽  
Title Compound ◽  
Octahedral Coordination ◽  
Coordination Geometry ◽  
Solvent Water Molecule ◽  
Distorted Octahedral Coordination ◽  
Solvent Water ◽  
Distorted Octahedral Coordination Geometry ◽  
Distorted Octahedral

In the title compound, [Cu(C2H3O2)2(C12H12N2)2]·H2O, the CuII atom exhibits a distorted octahedral coordination geometry, defined by two N atoms from one 4,4′-dimethyl-2,2′-bipyridine ligand and four O atoms from two acetate ligands. In the crystal, O—H...O hydrogen bonds are observed between the coordinated carboxylate O atoms and the solvent water molecule.

scholarly journals Crystal structure of bis{μ2-3-(pyridin-2-yl)-5-[(1,2,4-triazol-1-yl)methyl]-1,2,4-triazolato}bis[aquanitratocopper(II)] dihydrate

2016 ◽  
Vol 72 (4) ◽  
pp. 486-488
Author(s):  
Roman Doroschuk
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Three Dimensional ◽  
Title Complex ◽  
Coordination Geometry ◽  
Π Interactions ◽  
Distorted Octahedral Coordination ◽  
Dimensional Network ◽  
Distorted Octahedral Coordination Geometry ◽  
Distorted Octahedral

The structure of the dinuclear title complex, [Cu2(C10H8N7)2(NO3)2(H2O)2]·2H2O, consists of centrosymmetric dimeric units with a copper–copper separation of 4.0408 (3) Å. The CuIIions in the dimer display a distorted octahedral coordination geometry and are bridged by two triazole rings, forming an approximately planar Cu2N4core (r.m.s. deviation = 0.049 Å). In the crystal, O—H...O, O—H...N and C—H...O hydrogen bonds and π–π interactions link the molecules into a three-dimensional network.

scholarly journals cis-Bromidobis(ethylene-1,2-diamine)(2-methylpropan-1-amine)cobalt(III) dibromide

IUCrData ◽  
2018 ◽  
Vol 3 (9) ◽  
Author(s):  
M. Manjunathan ◽  
K. Anbalagan ◽  
K. Sambathkumar ◽  
E. Govindan
Keyword(s):  
Hydrogen Bonds ◽  
Equatorial Plane ◽  
Title Compound ◽  
Complex Cation ◽  
Octahedral Coordination ◽  
Supramolecular Framework ◽  
Coordination Environment ◽  
Distorted Octahedral Coordination ◽  
Distorted Octahedral ◽  
Distorted Octahedral Coordination Environment

In the title compound, [CoBr(C2H8N2)2(C4H11N)]Br2, the cobalt(III) ion has a distorted octahedral coordination environment and is ligated by three N atoms and a bromine ion in the equatorial plane, and by two N atoms occupying the axial positions. In the crystal, the complex cation and the two Br− counter-anions are linked by N—H...Br hydrogen bonds, forming a supramolecular framework.

scholarly journals Crystal structure of 5-tert-butyl-10,15,20-triphenylporphyrin

2016 ◽  
Vol 72 (2) ◽  
pp. 128-132
Author(s):  
Keith J. Flanagan ◽  
Ebrahim Mohamed Mothi ◽  
Lisa Kötzner ◽  
Mathias O. Senge
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Three Dimensional ◽  
Significant Degree ◽  
Free Base ◽  
Π Interactions ◽  
Tert Butyl ◽  
Two Component ◽  
Phenyl Rings ◽  
The Mean

In the title free base porphyrin, C42H34N4, the neighbouring N...N distances in the center of the ring vary from 2.818 (8) to 2.998 (8) Å and the phenyl rings are tilted from the 24-atom mean plane at angles varying between 62.42 (2)–71.63 (2)°. The NH groups are involved in intramolecular bifurcated N—H...(N,N) hydrogen bonds. The Ca—Cm—Caangles vary slightly for the phenyl rings, between 124.19 (18)–126.17 (18)°. The largest deviation from the mean plane of the 24-atom macrocycle is associated with themesocarbon at the substitutedtert-butyl position, which is displaced from the mean plane by 0.44 (2) Å. The free base porphyrin is characterized by a significant degree ofruffled (B1u) distortion with contributions fromdomed (A2u) andwave[Eg(y) andEg(x)] modes. In the crystal, molecules are linked by a number of weak C—H...π interactions, forming a three-dimensional framework. The structure was refined as a two-component inversion twin.

scholarly journals [N′-(3-Ethoxy-2-oxidobenzylidene)-4-hydroxy-3-methoxybenzohydrazidato](methanol)dioxidomolybdenum(VI)

2012 ◽  
Vol 68 (4) ◽  
pp. m358-m359
Author(s):  
Shou-Xing Wang
Keyword(s):  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
The Other ◽  
Octahedral Coordination ◽  
Coordination Geometry ◽  
Hydrazone Ligand ◽  
Distorted Octahedral Coordination ◽  
Distorted Octahedral Coordination Geometry ◽  
Distorted Octahedral ◽  
Benzene Rings

In the title dioxidomolybdenum(VI) complex, [Mo(C17H16N2O5)O2(CH3OH)], the MoVIatom is coordinated by the phenolate O, imine N and enolic O atoms of the tridentate hydrazone ligand, one methanol O atom, and two oxide O atoms, forming a distorted octahedral coordination geometry. The oxide O atoms adopt acisconformation: one istransto the methanol O atom and the other istransto the ligand N atom. The dihedral angle between the two benzene rings in the hydrazone ligand is 4.0 (3)°. In the crystal, molecules are linked by O—H...N and O—H...O hydrogen bonds.

scholarly journals Crystal structure ofcatena-poly[[bis(acetato-κO)copper(II)]-bis[μ-4-(1H-imidazol-1-yl)phenol]-κ2N3:O;κ2O:N3]

2017 ◽  
Vol 73 (2) ◽  
pp. 209-212
Author(s):  
Mehmet Poyraz ◽  
Musa Sarı
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Octahedral Coordination ◽  
Stacking Interactions ◽  
Coordination Environment ◽  
Heterocyclic Ligand ◽  
Distorted Octahedral Coordination ◽  
Distorted Octahedral ◽  
Distorted Octahedral Coordination Environment

In the title compound, [Cu(CH3COO)2(C9H8N2O)2]n, the CuIIion resides on a centre of inversion, displaying a tetragonally distorted octahedral coordination environment defined by two pairs of N and O atoms of symmetry-related 4-(1H-imidazol-1-yl)phenol ligands and the O atoms of two symmetry-related acetate ligands. The bridging mode of the 4-(1H-imidazol-1-yl)phenol ligands is associated with a very long Cu...O interactions involving the phenol O atom of the heterocyclic ligand, which creates chains extending parallel to [100]. In the crystal, the chains are arranged in a distorted hexagonal rod packing and are linkedviaC—H...O hydrogen bonds and by π–π stacking interactions involving centrosymmetrically related pairs of imidazole and phenol rings.

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